Compound Detail
CHEMBL74909
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Basic Information
| ChEMBL ID | CHEMBL74909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOGHEWWVBBVYEY-DOFZRALJSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
6.22
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.07 | 6.99 | 8.6 | 3 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.04 | 6.04 | 908.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 8.6 | nM | 8.07 | Tested for binding affinity to Cannabinoid receptor 1 | 10072686 |
| Cannabinoid receptor 1 | Ki | = | 26.7 | nM | 7.57 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
| Cannabinoid receptor 2 | Ki | = | 908.0 | nM | 6.04 | Binding affinity towards Cannabinoid receptor 2 from mouse spleen membranes usin... | 9876105 |
| Cannabinoid receptor 1 | Ki | = | 4640.0 | nM | 5.33 | Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in ... | 9876105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 1 | 2 |
| 8558515 | 10.1021/jm9505167 | Mus musculus | 2 |
| 10072686 | 10.1021/jm980461j | Fatty-acid amide hydrolase 1 | 2 |
| 9876105 | 10.1021/jm970257g | Cannabinoid receptor 2 | 1 |
| 10072686 | 10.1021/jm980461j | Cannabinoid receptor 1 | 1 |
| 10882356 | 10.1021/jm991074s | Cannabinoid receptor 1 | 1 |
| 10882356 | 10.1021/jm991074s | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine